mailr9723 - in /branches/bmrb/generic_fns: bmrb_saveframes.py exp_info.py


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Posted by edward on October 11, 2009 - 16:04:
Author: bugman
Date: Sun Oct 11 16:04:48 2009
New Revision: 9723

URL: http://svn.gna.org/viewcvs/relax?rev=9723&view=rev
Log:
Removed the kludgy bmrb_saveframes module and shifted the code into exp_info.


Removed:
    branches/bmrb/generic_fns/bmrb_saveframes.py
Modified:
    branches/bmrb/generic_fns/exp_info.py

Removed: branches/bmrb/generic_fns/bmrb_saveframes.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bmrb/generic_fns/bmrb_saveframes.py?rev=9722&view=auto
==============================================================================
--- branches/bmrb/generic_fns/bmrb_saveframes.py (original)
+++ branches/bmrb/generic_fns/bmrb_saveframes.py (removed)
@@ -1,51 +1,0 @@
-###############################################################################
-#                                                                            
 #
-# Copyright (C) 2009 Edward d'Auvergne                                       
 #
-#                                                                            
 #
-# This file is part of the program relax.                                    
 #
-#                                                                            
 #
-# relax is free software; you can redistribute it and/or modify              
 #
-# it under the terms of the GNU General Public License as published by       
 #
-# the Free Software Foundation; either version 2 of the License, or          
 #
-# (at your option) any later version.                                        
 #
-#                                                                            
 #
-# relax is distributed in the hope that it will be useful,                   
 #
-# but WITHOUT ANY WARRANTY; without even the implied warranty of             
 #
-# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the              
 #
-# GNU General Public License for more details.                               
 #
-#                                                                            
 #
-# You should have received a copy of the GNU General Public License          
 #
-# along with relax; if not, write to the Free Software                       
 #
-# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA  
 #
-#                                                                            
 #
-###############################################################################
-
-# Module docstring.
-"""Module containing read/write functions for miscellaneous BMRB NMR-STAR 
saveframes."""
-
-# relax module imports.
-from version import version, get_revision, get_url
-
-
-def write_relax(star):
-    """Generate the Software saveframe records for relax.
-
-    @param star:        The NMR-STAR dictionary object.
-    @type star:         NMR_STAR instance
-    """
-
-    # The relax version.
-    ver = version
-    if ver == 'repository checkout':
-        # Get the SVN revision and URL.
-        rev = get_revision()
-        url = get_url()
-
-        # Change the version string.
-        if rev:
-            ver = version + " r" + rev
-        if url:
-            ver = ver + " " + url
-
-    # The relax info.
-    star.software.add(name='relax', version=ver, vendor_name='The relax 
development team', vendor_eaddress='http://nmr-relax.com', task='data 
processing')

Modified: branches/bmrb/generic_fns/exp_info.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bmrb/generic_fns/exp_info.py?rev=9723&r1=9722&r2=9723&view=diff
==============================================================================
--- branches/bmrb/generic_fns/exp_info.py (original)
+++ branches/bmrb/generic_fns/exp_info.py Sun Oct 11 16:04:48 2009
@@ -63,12 +63,29 @@
     """
 
     # Unknown program.
-    if name not in ['NMRPipe', 'Sparky']:
+    if name not in ['relax', 'NMRPipe', 'Sparky']:
         raise RelaxError("The software '%s' is unknown.  Please use the user 
function for manually specifying software details instead." % name)
 
     # Set up the experimental info data container, if needed.
     if not hasattr(cdp, 'exp_info'):
         cdp.exp_info = ExpInfo()
+
+    # relax.
+    if name == 'relax':
+        # The relax version.
+        ver = version
+        if ver == 'repository checkout':
+            # Get the SVN revision and URL.
+            rev = get_revision()
+            url = get_url()
+
+            # Change the version string.
+            if rev:
+                ver = version + " r" + rev
+            if url:
+                ver = ver + " " + url
+
+        cdp.exp_info.software_setup(name='relax', version=ver, 
vendor_name='The relax development team', 
vendor_eaddress='http://nmr-relax.com', cite="d'Auvergne, E. J. and Gooley, 
P. R. (2008).  Optimisation of NMR dynamic models I.  Minimisation algorithms 
and their performance within the model-free and Brownian rotational diffusion 
spaces.  J. Biomol. NMR, 40(2), 107-119;  d'Auvergne, E. J. and Gooley, P. R. 
(2008).  Optimisation of NMR dynamic models II.  A new methodology for the 
dual optimisation of the model-free parameters and the Brownian rotational 
diffusion tensor.  J. Biomol. NMR, 40(2), 121-133.", task='data processing')
 
     # NMRPipe.
     if name == 'NMRPipe':




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